SCHEMBL4185523

SCHEMBL4185523

COc1ccc(S(=O)(=O)N(Cc2cc(-c3ccc4ncnc(NC(C)(C)C)c4c3)ccc2F)C2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 4/20 0.52
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
IRAK4 Q9NWZ3 5/20 0.41
RORC P51449 1/20 0.41
THRB P10828 1/20 0.41
CLK4 Q9HAZ1 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4177638 0.90 IRAK4 (0.44) AVPR1BCCNE2CCNE1CDK2IRAK4
SCHEMBL4185497 0.90 IRAK4 (0.53) AVPR1BIRAK4CLK4ALDH1A1USP2
SCHEMBL4187250 0.86 IRAK4 (0.42) IRAK4CLK4USP2LMNACYP1A2
SCHEMBL4177915 0.86 CD38 (0.44) IRAK4CLK4USP2LMNACYP1A2
SCHEMBL4174591 0.86 RORC (0.43) AVPR1BIRAK4RORCCLK4USP2
SCHEMBL4181044 0.83 CD38 (0.44) IRAK4CLK4USP2LMNACYP1A2
SCHEMBL4181841 0.83 RORC (0.43) CCNE2CCNE1CDK2IRAK4RORC
SCHEMBL4177712 0.82 CD38 (0.42) CCNE2CCNE1CDK2IRAK4CLK4
SCHEMBL4178754 0.82 IRAK4 (0.53) IRAK4CLK4ALDH1A1USP2LMNA
SCHEMBL4184770 0.81 IRAK4 (0.42) CCNE2CCNE1CDK2IRAK4RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US claimed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 AVPR1B 564/4885CCNE2 4608/4885CCNE1 4735/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.